Datasets:
Zhaohan-Meng
/
InteractBind

Dataset card Data Studio Files
xet
 Community
1
pubchem_id
string
uniprot_id
string
selfies
string
smiles
string
saprot
string
fasta
string
att_site
string
label
int64
affinity
float64
Hydrogen bonding_binding_site
string
Salt Bridges_binding_site
string
π–π Stacking_binding_site
string
Cation–π_binding_site
string
Hydrophobic_binding_site
string
Van der Waals_binding_site
string
Overall_binding_site
string
753
P0DO67
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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GGLVPRGSHMFIMIGERINGMFKDIREAILNKDPRPIQEWARRQAEKGAHYLDVNTGPTADDPVRVMEWLVKTIQEVVDLPCCLDSTNPDAIEAGLKVHRGHAMINSTSADQWKMDIFFPMAKKYEAAIIGLTMNEKGVPKDANDRSQLAMELVANADAHGIPMTELYIDPLILPVNVAQEHAVEVLETIRQIKLMANPAPRTVLGLSNVSQKCPDRPLINRTYLVMAMTAGLDAAIMDVDDDALVDAAATAHILLNKEIYCDSYLKTFRQK
2YCK_2_k12
0
-3
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713878
B1MDL6
[CH1][=CH0][Branch1][C][CH3][CH0][=CH0][Branch1][#Branch1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][NH0][Ring1][#Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH1]
Cc1cn(CCC(=O)O)c2ccccc12
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5O0C_1_k12
1
-7.5
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32838
Q22000
[CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][=Branch1][NH0][Branch1][C][H][H][=N+1][Branch1][C][H][H]
NC(N)=[NH2+]
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6FTM_1_k12
0
-2.1
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137088
P51977
[CH1][Branch1][Ring1][OH0][H][=CH1][OH0][H]
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2BCQ_1_k12
0
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176
P00533
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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3NUG_1_k12
0
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8172
Q9H2K2
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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7VM5_1_k12
0
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445184
P12821
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5AM9_6_k12
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10527520
Q8N6T7
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Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@H]2c1ccc(OCCN2CCCC2)cc1
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6VGH_1_k12
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s177
P9WFK7
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1MB4_1_k12
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s520
Q8I566
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6BB2_2_k12
1
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176
P40746
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4UDN_2_k12
0
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753
Q13526
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2AH2_1_k12
0
-3.9
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445184
P26331
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][#C]
OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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8B3B_3_k12
0
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s596
P44849
[CH1][=CH1][CH2][NH0][CH1][Branch1][S][SH0][CH2][CH1][CH1][=CH0][Branch1][C][CH3][NH0][Branch1][C][H][OH0][Ring1][#Branch1][NH0][Branch1][C][H][NH0][Branch1][C][H][CH0][Ring1][S][=CH1][Ring2][Ring1][Ring2]
CC1=CC(CSC2NNC3=CC=CCN32)ON1
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4HXO_1_k12
1
-7.3
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s882
P00735
[C@@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][#C][CH0][=CH0][Branch1][C][ClH0][CH1][=CH0][Branch1][C][FH0][CH1][=CH1][Ring1][Branch2][CH2][CH3][Branch2][Ring1][Ring1][CH0][=CH1][CH1][=CH0][Branch1][=Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH1][Ring1][N][CH0][=CH1][CH0][=CH1][NH0][Branch1][C][H][NH0][B...
CC[C@H](c1ccc(F)cc1Cl)[C@@H](C1=CC2=CNNC2C=C1)c1ccc(CCC(=O)O)cc1
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RSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTSHDQVHLLEAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKVVPSYDLLLEMLDA
7RS4_1_k12
1
-11.2
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12374
Q9NZU7
[CH2][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][CH2][OH0][H]
OCCCCCCO
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3OX6_1_k12
0
-3.6
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447053
P22303
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][C][CH3][OH0][Ring1][=N]
C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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EDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLV...
6NTL_3_k12
0
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8179
P0A733
[OH0][Branch1][=Branch1][CH2][CH2][OH0][CH2][CH3][CH2][CH2][OH0][CH2][CH3]
CCOCCOCCOCC
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4XP1_7_k12
0
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79025
P26215
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OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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7W2V_2_k12
2
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679
Q9I6D1
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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NRVLYPGTFDPITKGHGDLIERASRLFDHVIIAVAASPKKNPLFSLEQRVALAQEVTKHLPNVEVVGFSTLLAHFVKEQKANVFLRGLRAVSDFEYEFQLANMNRQLAPDVESMFLTPSEKYSFISSTLVREIAALGGDISKFVHPAVADALAERFKNRVLYPGTFDPITKGHGDLIERASRLFDHVIIAVAASPKKNPLFSLEQRVALAQEVTKHLPNVEVVGFSTLLAHFVKEQKANVFLRGLRAVSDFEYEFQLANMNRQLAPDVESMFLTPSEKYSFISSTLVREIAALGGDISKFVHPAVADALAERFK
3X1K_1_k12
0
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753
P29473
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2ZZ4_2_k12
0
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174
P07711
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4YIK_1_k12
0
-2.3
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s364
P9WIL5
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5SSW_1_k12
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753
P9WPA7
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OCC(O)CO
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3AEZ_1_k12
0
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64947
O85465
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CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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1E5J_3_k12
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Q07296
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P22970
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5V8S_1_k12
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Q6P988
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7B37_3_k12
0
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12641850
A5D1G6
[NH0][Branch1][#Branch2][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH2][CH2][C@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][Branch1][C][CH3][=OH0][H][CH2][CH2][Ring2][Ring1][C]
CC(=O)NC1CCN(Cc2ccccc2)CC1
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5POJ_2_k12
2
-7
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s129
P41407
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NC1=C2NCN([C@@H]3O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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6OZ1_2_k12
1
-7.7
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90655273
P09211
[CH2][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1CCOCC1
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1PX7_1_k12
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177
P02699
[CH1][=Branch1][C][=OH0][CH3]
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1GZM_7_k12
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445395
Q84R21
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3W7A_1_k12
1
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444205
Q5RBV0
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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5WKG_1_k12
0
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753
P10384
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2YZ5_1_k12
0
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753
P06229
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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RNLMIVDGTNLGFRFKHNNSKKPFASSYVSTIQSLAKSYSARTTIVLGDKGKSVFRLEHLPEYKGNRDEKYAQRTEEEKALDEQFFEYLKDAFELCKTTFPTFTIRGVEADDMAAYIVKLIGHLYDHVWLISTKGDWDTLLTDKVSRFSFTTRREYHLRDMYEHHNVDDVEQFISLKAIMGDLGDNIRGVEGIGAKRGYNIIREFGNVLDIIDQLPLPGKQKYIQNLNASEELLFRNLILVDLPTYCVDAIAAVGQDVLDKFTKDILEIAEQ
5HNK_1_k12
0
-2.9
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s777
Q04957
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445395
Q02127
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2FPV_3_k12
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s428
Q9C5I1
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6DU7_1_k12
1
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767
P24397
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4C80_2_k12
0
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s617
P55245
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CC(C)(C)CN1C(N)NC2=CC=C(C3=C(c4ccc(F)cc4)NC(C(C)(C)C)N3)NC21
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8G63_1_k12
1
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753
P0C186
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1PTJ_1_k12
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4369133
Q9HD34
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1QMF_2_k12
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8629
Q92PX0
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4EDF_1_k12
1
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73010372
Q58338
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3W7M_3_k12
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64960
P14340
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
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4AX6_2_k12
2
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168443395
P25440
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COc1cc2c(c(OC)c1)C(=O)NC(c1cc(C)c(OCCO)c(C)c1)N2
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4MR6_3_k12
1
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64960
Q57764
[CH2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][#C]
OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
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2EJ1_1_k12
0
-4.6
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7048808
O50979
[C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][C@@H1][Branch2][Ring1][Branch1][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][Branch1][C][CH3][=CH1][Ring1][#Branch2][CH2][C@@H1][Ring2][Ring1][C][OH0][H]
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4E0Z_2_k12
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s624
P63820
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5TNO_2_k12
1
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445318
P02699
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6FKC_5_k12
2
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753
Q99IB8
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
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4OBC_2_k12
0
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s1041
P0DOX5
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8PSW_1_k12
1
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124886
Q9M9F1
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N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
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6EP7_1_k12
2
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P9WNX1
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Q9NXA8
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6GR9_1_k12
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6503
P06653
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NC(CO)(CO)CO
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2BML_2_k12
0
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444205
C0HLV2
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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7ZVB_1_k12
0
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753
P25239
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2W48_3_k12
0
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6503
P02945
[C@@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
NC(CO)(CO)CO
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1LXY_1_k12
0
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82313
P14769
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1GX4_3_k12
2
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3QXV_1_k12
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5288834
P36911
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6PMD_1_k12
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4WLB_1_k12
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6503
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7ACO_1_k12
2
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7KCO_1_k12
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s108
Q9NTG7
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7CDD_2_k12
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s66
P28720
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CC1Nc2cc3c(cc2N1)C(=O)NC(N)N3
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3C2Y_2_k12
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753
P17643
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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9EY6_5_k12
0
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174
Q9S4K6
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4RB4_2_k12
0
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723
D7BPX0
[CH1][=Branch1][Branch2][=CH1][CH0][=Branch1][C][=OH0][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)C=CC(=O)O
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SLKVVSVDTLCCDAGWRNYHFVKLTTDEGIVGWSEFDEGFGSPGVTAVIEQLGKRLVGASVMEHERFFAEAYCLTRPATGGVVSEGIGAIENALLDAKAKTLNVPCYELLGGKLRDRVPVYWSHCPTWRINHPKFFGPPVTDLDGVKRTAEEARERQFRAIKTNIFIHDDGPLHAWRPGFAVPFQPALNVDRKVLRNLRAHLEALRDGAGPDVEILLDLNFNAKPEGYLKILRELADFDLFWVEIDSYSPQGLAYVRNHSPHPISSCETLFGIREFKPFFDANAVDVAIVDTIWNGVWQSMKIAAFADAHDINVAPHNFY...
3SN0_1_k12
0
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6503
P00396
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1GVY_2_k12
0
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8209
A5K0N4
[CH2][Branch1][Branch2][CH2][CH2][CH2][CH2][CH2][OH0][H][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCCO
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1TCO_1_k12
0
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5288834
Q12408
[CH3][C@][Branch1][C][CH3][Branch1][Ring1][OH0][H][CH2][C@H1][Branch1][C][CH3][OH0][H]
C[C@H](O)CC(C)(C)O
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5MFL_2_k12
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O14842
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444205
Q9HCN6
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5OU9_1_k12
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8141
Q9Z2V5
[CH2][Branch1][Branch1][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH3]
CCCCCCCCC
EdApPdKdNfFkGwLkDkVkKkIkTkGfEkSwEwNpDdRqDaLqGqTpAdPpGdGrTtLdNtDkIiGkImDkLmRkPiWkAgFkGdQdWdGvDqWkSiAkYiFwMiGkQiAwVmAaAmTpDaTdIdEdTpDdTlLqQaSdDdTdDvGlRgEdPaDgKnSiYkLiAfAtRqEwFtWwVmDkYgAqGpLpTdApYdPpGqEwHiLwRiFaGtRqQaRaLdRdEdDfSqGlQqWaQaDgThNgIfEgAkLtNkWiSwFdEdTdTqLfLkNtAkHiAwGmVkAtQaRhFpSaErYrRmTpDnLhDrEdLdAqPqEvDrKpDqRk...
EAPKNFGLDVKITGESENDRDLGTAPGGTLNDIGIDLRPWAFGQWGDWSAYFMGQAVAATDTIETDTLQSDTDGREPDKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLREDSGQWQDTNIEALNWSFETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTHVFGDISTQWAPHHRIGVRIHHADDSGHLRRPGEEVDNLDKTYTGQLTWLGIEATGDAYNYRSSMPLNYWASATWLTGDRDNLTTTTVDDRRIATGKQSGDVNAFGVDLGLRWNIDEQWKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVH...
4AFK_2_k12
0
-3.6
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6503
Q96KQ7
[C@@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
NC(CO)(CO)CO
IdRfTaEkKdIfIqCaRqDaVpAqRvGpYpEfNpVdPgIaPtCeViNeGrVaDdGdEdPhCdPdEdDqYaKaYeIdSqEaNaCdEeTpSdTdMpNpIaDpRlNdIvTvHvLdQdHeCaTaCdVaDpDlCqSqSdSpNrCgLvCqGlQvLqSqIvRgCqWqYqDdKpDvGgRfLgLpQlEpFqNdKqIvEdPgPgLeIhFeEaChNeQpApCySpCyWdRpNpCrKnNrRcVqVqQvSnGgIaKdVfRhLkQyLwYyRqTdAhKpMqGgWiGfViRfAgLqQfTkIdPaQaGrThFwIhCgEwYwVyGaEyLkIdSfDpAv...
IRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFECNQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMN...
7XUA_2_k12
0
-3.4
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s608
P01008
[CH2][C@H1][Branch1][N][OH0][S@@][Branch1][C][OH1][Branch1][Ring1][OH0][H][OH0][H][C@@H1][Branch1][Ring1][OH0][CH3][C@H1][Branch1][Ring1][OH0][CH3][C@@H1][Branch1][=N][CH2][OH0][S@@][Branch1][C][OH1][Branch1][Ring1][OH0][H][OH0][H][OH0][Ring2][Ring1][=Branch2]
CO[C@H]1[C@H](OC)[C@@H](COS(O)(O)O)OC[C@@H]1OS(O)(O)O
SdPpVdDqIlCqTpAdKdPcRvDvIdPpMqNfPaMpCdIfYdRaSdPpEpQpKdIaPfEpApTdNdRvRlVlWlEvLlSlKvAlNlSqRqFlAvTlTlFlYvQvHlLvAvDvSvKdNdDlNlDaNkIwFkLfSfPsLlSlIvSlTlAlFlAlMlTlKlLrGqAfCdNdDpTlLnQvQlLnMcEvVnFsKvFvDnTvIdSdErKvTcSrDrQcIvHlFsFsFsAlKnLnNvCsRvLvYcRvKqAqNvKvAfSwKdLkVfSkAdNkRaLkFeGfDaKqSvLfTdFwNdEvTsYsQqDvIvScEcLnVsYvGvAgKgLhQhPh...
SPVDICTAKPRDIPMNPMCIYRSPEQKIPEATNRRVWELSKANSRFATTFYQHLADSKNDNDNIFLSPLSISTAFAMTKLGACNDTLQQLMEVFKFDTISEKTSDQIHFFFAKLNCRLYRKANKASKLVSANRLFGDKSLTFNETYQDISELVYGAKLQPLDFKENAEQSRAAINKWVSNKTEGRITDVIPSEAINELTVLVLVNTIYFKGLWKSKFSPENTRKELFYKADGESCSASMMYQEGKFRYRRVAEGTQVLELPFKGDDITMVLILPKPEKSLAKVEKELTPEVLQEWLDELEEMMLVVHMPRFRIEDGFSLK...
3KCG_3_k12
2
-5.3
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3K0G_1_k12
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s361
P00763
[C@@H1][Branch2][Ring1][=C][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][C@@H1][Branch2][Ring1][=C][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][...
NC1=C2NCN([C@@H]3O[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
HdHdAaPaSaYeRaVeKdRaMdDqIlAlKpNdDdEfEqCeVeVeNaAqAaNaPqRqGlLdPcGdDdGdVnCsKvAsVcYcKvKnWqPvEvSqFsKpNpSqAhThPdVqGlTaAwKdTwVgMqCrGpTnYrPiVyIiHyAfVyGqPaNqFcSlNpYdSpEpSvEvGsDlRvEsLlAlAsAsYlRlEnVvAlKvEvVcTvRvLvGvVtNqSeVyAeIyPeLqLhScTqGdVnYsSvGsGpKdDhRcLlTvQsSrLvNvHsLnFcTvArMcDvSpTpDrAhDhVyVyIyYyCdRhDdKpEvWsEnKvKvIvSvEvAvIrQvMv...
HHAPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATPVGTAKTVMCGTYPVIHAVGPNFSNYSESEGDRELAAAYREVAKEVTRLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKKISEAIQMRTAPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATPVGTAKTVMCGTYPVIHAVGPNFSNYSESEGDRELAAAYREVAKEVTRLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKKISEAIQM...
4TU0_2_k12
1
-8
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174
Q8TKW2
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
SdNpApMdAdRdIdLdKdTdAfYaTaFlDlDqVkLdLwVaPfNdKdSaEpVdLaPlNvEqVaSfLqKwTfQdLqTfKpKpIdQiLfNrIhPqLeMeSeAdSqMdDqTlViTdEfSlKlMnAqIlAvMqAqRvEvGrGhIgGyIeIhHhKdNlMdTdIlEqDvQrAlRvErVlDlRvVnKcRvSvGpGhLgLaCyGhAySeIaGeVlTdNpDcMrMvEvRsVvDvAsVnVvKvAsKvVhDqVeIyVeLhDdTdAlHaGqHlSdKpGsVnIlEvGvVlKlRvIvKcAvKvYvPvErLhQaVyIeAyGdNdIdAqTaPlEvAs...
SNAMARILKTAYTFDDVLLVPNKSEVLPNEVSLKTQLTKKIQLNIPLMSASMDTVTESKMAIAMAREGGIGIIHKNMTIEDQAREVDRVKRSGGLLCGASIGVTNDMMERVDAVVKAKVDVIVLDTAHGHSKGVIEGVKRIKAKYPELQVIAGNIATPEAVRDLAEAGADCVKVGIGPGSICTTRIVAGVGVPQLTAVMDCAEEGKKLGIPVIADGGLKYSGDIVKALAAGACAAMMGSIFAGCEEAPGAIEIYQGRSYKVYRGMGSLGAMAKFVPEGVEGRIAYKGHLADTIYQLIGGIKSGMGYLGAPTLENLYENAN...
5UZS_4_k12
0
-2
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8064
938033
[CH2][Branch1][Ring2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCCCO
HdHpHvHpHaMdIaRpPvEvYvLvRvVvLvRvKvIlYlDvRlLpKvNvEpKpVwNaWkVaVwTaGdSpLvSlFcAvLlQvGpVnPrVdEyVdHqDaIiDeIiQeTgDaEqEvGnAlYqEvIsEcRvIsFqSvEvFfVwSpKfKqVfRdFfSdSdTdElKfIkCtSfHrFwGtEwLgIaIdDpGnIgKiVyEiIyMgGhDqIiRwKtRaLdEpDvGsTdWtEhDgPrVdDpLlNvKvYfKwRaFfVrEcTdHpGnMgKgIgPiVhLgShLpEvYvEnYvQvAvYvLvKvLvGvRvVvEvKvAvEvTvLvRvKvWvLvNvEv...
HHHHHMIRPEYLRVLRKIYDRLKNEKVNWVVTGSLSFALQGVPVEVHDIDIQTDEEGAYEIERIFSEFVSKKVRFSSTEKICSHFGELIIDGIKVEIMGDIRKRLEDGTWEDPVDLNKYKRFVETHGMKIPVLSLEYEYQAYLKLGRVEKAETLRKWLNER
4HX0_2_k12
0
-2.6
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445395
Q60049
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1NOX_1_k12
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284
P30750
[CH1][=Branch1][C][=OH0][OH0][H]
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5CA6_3_k12
0
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s718
P12821
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Cc1cccc(Cl)c1NC(=O)C1=CNC(NC2C=C(N3CCN(CCO)CC3)NC(C)N2)S1
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8S9F_1_k12
1
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s685
P08754
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NC1NC(=O)C2=C(N1)N([C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)CN2
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4G5S_2_k12
1
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447329
P60569
[CH0][=Branch1][C][=OH0][Branch2][Ring1][=Branch2][NH0][CH2][CH2][CH0][=CH0][Branch1][Ring2][CH2][Ring1][=Branch1][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][O][Ring1][=Branch1][CH2][CH2][SH0][H]
O=C(CCS)N1CCc2c([nH]c3ccccc23)C1
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STKKTQLQLEHLLLDLQMILNGINNCKNPKLTRMLTFKFYMPKKATELKHLQCLEEELKPLEEVLNLAQFHLRPRDLISNINVIVLELKGFMCEYADETATIVEFLNRWITFCQSIISTLT
1NBP_1_k12
1
-8
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8117
P0CW57
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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8Q5X_3_k12
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